scholarly journals Mol-BERT: An Effective Molecular Representation with BERT for Molecular Property Prediction

2021 ◽  
Vol 2021 ◽  
pp. 1-7
Author(s):  
Juncai Li ◽  
Xiaofei Jiang

Molecular property prediction is an essential task in drug discovery. Most computational approaches with deep learning techniques either focus on designing novel molecular representation or combining with some advanced models together. However, researchers pay fewer attention to the potential benefits in massive unlabeled molecular data (e.g., ZINC). This task becomes increasingly challenging owing to the limitation of the scale of labeled data. Motivated by the recent advancements of pretrained models in natural language processing, the drug molecule can be naturally viewed as language to some extent. In this paper, we investigate how to develop the pretrained model BERT to extract useful molecular substructure information for molecular property prediction. We present a novel end-to-end deep learning framework, named Mol-BERT, that combines an effective molecular representation with pretrained BERT model tailored for molecular property prediction. Specifically, a large-scale prediction BERT model is pretrained to generate the embedding of molecular substructures, by using four million unlabeled drug SMILES (i.e., ZINC 15 and ChEMBL 27). Then, the pretrained BERT model can be fine-tuned on various molecular property prediction tasks. To examine the performance of our proposed Mol-BERT, we conduct several experiments on 4 widely used molecular datasets. In comparison to the traditional and state-of-the-art baselines, the results illustrate that our proposed Mol-BERT can outperform the current sequence-based methods and achieve at least 2% improvement on ROC-AUC score on Tox21, SIDER, and ClinTox dataset.

Author(s):  
Yilin Yan ◽  
Jonathan Chen ◽  
Mei-Ling Shyu

Stance detection is an important research direction which attempts to automatically determine the attitude (positive, negative, or neutral) of the author of text (such as tweets), towards a target. Nowadays, a number of frameworks have been proposed using deep learning techniques that show promising results in application domains such as automatic speech recognition and computer vision, as well as natural language processing (NLP). This article shows a novel deep learning-based fast stance detection framework in bipolar affinities on Twitter. It is noted that millions of tweets regarding Clinton and Trump were produced per day on Twitter during the 2016 United States presidential election campaign, and thus it is used as a test use case because of its significant and unique counter-factual properties. In addition, stance detection can be utilized to imply the political tendency of the general public. Experimental results show that the proposed framework achieves high accuracy results when compared to several existing stance detection methods.


Author(s):  
Yilin Yan ◽  
Jonathan Chen ◽  
Mei-Ling Shyu

Stance detection is an important research direction which attempts to automatically determine the attitude (positive, negative, or neutral) of the author of text (such as tweets), towards a target. Nowadays, a number of frameworks have been proposed using deep learning techniques that show promising results in application domains such as automatic speech recognition and computer vision, as well as natural language processing (NLP). This article shows a novel deep learning-based fast stance detection framework in bipolar affinities on Twitter. It is noted that millions of tweets regarding Clinton and Trump were produced per day on Twitter during the 2016 United States presidential election campaign, and thus it is used as a test use case because of its significant and unique counter-factual properties. In addition, stance detection can be utilized to imply the political tendency of the general public. Experimental results show that the proposed framework achieves high accuracy results when compared to several existing stance detection methods.


2020 ◽  
Vol 2 (4) ◽  
pp. 209-215
Author(s):  
Eriss Eisa Babikir Adam

The computer system is developing the model for speech synthesis of various aspects for natural language processing. The speech synthesis explores by articulatory, formant and concatenate synthesis. These techniques lead more aperiodic distortion and give exponentially increasing error rate during process of the system. Recently, advances on speech synthesis are tremendously moves towards deep learning process in order to achieve better performance. Due to leverage of large scale data gives effective feature representations to speech synthesis. The main objective of this research article is that implements deep learning techniques into speech synthesis and compares the performance in terms of aperiodic distortion with prior model of algorithms in natural language processing.


Big data is large-scale data collected for knowledge discovery, it has been widely used in various applications. Big data often has image data from the various applications and requires effective technique to process data. In this paper, survey has been done in the big image data researches to analysis the effective performance of the methods. Deep learning techniques provides the effective performance compared to other methods included wavelet based methods. The deep learning techniques has the problem of requiring more computational time, and this can be overcome by lightweight methods.


2021 ◽  
Vol 9 (2) ◽  
pp. 1051-1052
Author(s):  
K. Kavitha, Et. al.

Sentiments is the term of opinion or views about any topic expressed by the people through a source of communication. Nowadays social media is an effective platform for people to communicate and it generates huge amount of unstructured details every day. It is essential for any business organization in the current era to process and analyse the sentiments by using machine learning and Natural Language Processing (NLP) strategies. Even though in recent times the deep learning strategies are becoming more familiar due to higher capabilities of performance. This paper represents an empirical study of an application of deep learning techniques in Sentiment Analysis (SA) for sarcastic messages and their increasing scope in real time. Taxonomy of the sentiment analysis in recent times and their key terms are also been highlighted in the manuscript. The survey concludes the recent datasets considered, their key contributions and the performance of deep learning model applied with its primary purpose like sarcasm detection in order to describe the efficiency of deep learning frameworks in the domain of sentimental analysis.


2021 ◽  
Vol 2021 ◽  
pp. 1-15
Author(s):  
Kazi Nabiul Alam ◽  
Md Shakib Khan ◽  
Abdur Rab Dhruba ◽  
Mohammad Monirujjaman Khan ◽  
Jehad F. Al-Amri ◽  
...  

The COVID-19 pandemic has had a devastating effect on many people, creating severe anxiety, fear, and complicated feelings or emotions. After the initiation of vaccinations against coronavirus, people’s feelings have become more diverse and complex. Our aim is to understand and unravel their sentiments in this research using deep learning techniques. Social media is currently the best way to express feelings and emotions, and with the help of Twitter, one can have a better idea of what is trending and going on in people’s minds. Our motivation for this research was to understand the diverse sentiments of people regarding the vaccination process. In this research, the timeline of the collected tweets was from December 21 to July21. The tweets contained information about the most common vaccines available recently from across the world. The sentiments of people regarding vaccines of all sorts were assessed using the natural language processing (NLP) tool, Valence Aware Dictionary for sEntiment Reasoner (VADER). Initializing the polarities of the obtained sentiments into three groups (positive, negative, and neutral) helped us visualize the overall scenario; our findings included 33.96% positive, 17.55% negative, and 48.49% neutral responses. In addition, we included our analysis of the timeline of the tweets in this research, as sentiments fluctuated over time. A recurrent neural network- (RNN-) oriented architecture, including long short-term memory (LSTM) and bidirectional LSTM (Bi-LSTM), was used to assess the performance of the predictive models, with LSTM achieving an accuracy of 90.59% and Bi-LSTM achieving 90.83%. Other performance metrics such as precision,, F1-score, and a confusion matrix were also used to validate our models and findings more effectively. This study improves understanding of the public’s opinion on COVID-19 vaccines and supports the aim of eradicating coronavirus from the world.


2021 ◽  
Author(s):  
Saniya Karnik ◽  
Navya Yenuganti ◽  
Bonang Firmansyah Jusri ◽  
Supriya Gupta ◽  
Prasanna Nirgudkar ◽  
...  

Abstract Today, Electrical Submersible Pump (ESP) failure analysis is a tedious, human-intensive, and time-consuming activity involving dismantle, inspection, and failure analysis (DIFA) for each failure. This paper presents a novel artificial intelligence workflow using an ensemble of machine learning (ML) algorithms coupled with natural language processing (NLP) and deep learning (DL). The algorithms outlined in this paper bring together structured and unstructured data across equipment, production, operations, and failure reports to automate root cause identification and analysis post breakdown. This process will result in reduced turnaround time (TAT) and human effort thus drastically improving process efficiency.


Processes ◽  
2020 ◽  
Vol 8 (6) ◽  
pp. 649
Author(s):  
Yifeng Liu ◽  
Wei Zhang ◽  
Wenhao Du

Deep learning based on a large number of high-quality data plays an important role in many industries. However, deep learning is hard to directly embed in the real-time system, because the data accumulation of the system depends on real-time acquisitions. However, the analysis tasks of such systems need to be carried out in real time, which makes it impossible to complete the analysis tasks by accumulating data for a long time. In order to solve the problems of high-quality data accumulation, high timeliness of the data analysis, and difficulty in embedding deep-learning algorithms directly in real-time systems, this paper proposes a new progressive deep-learning framework and conducts experiments on image recognition. The experimental results show that the proposed framework is effective and performs well and can reach a conclusion similar to the deep-learning framework based on large-scale data.


2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Gilad Liberman ◽  
Benedikt A. Poser

AbstractModern sequences for Magnetic Resonance Imaging (MRI) trade off scan time with computational challenges, resulting in ill-posed inverse problems and the requirement to account for more elaborated signal models. Various deep learning techniques have shown potential for image reconstruction from reduced data, outperforming compressed sensing, dictionary learning and other advanced techniques based on regularization, by characterization of the image manifold. In this work we suggest a framework for reducing a “neural” network to the bare minimum required by the MR physics, reducing the network depth and removing all non-linearities. The networks performed well both on benchmark simulated data and on arterial spin labeling perfusion imaging, showing clear images while preserving sensitivity to the minute signal changes. The results indicate that the deep learning framework plays a major role in MR image reconstruction, and suggest a concrete approach for probing into the contribution of additional elements.


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